Basic information
- Standard SMILES
CC(C)(C)Cn1c(Cn2cnnn2)cc2cnc(C#N)nc21- InChIKey
HCQDVZWAHCAVAN-UHFFFAOYSA-N- Molecular formula
- C14H16N8
- Average molar mass
- 296.33 g/mol
- Monoisotopic mass
- 296.14979254
Names & identifiers
- Preferred name
- 7-(2,2-Dimethyl-propyl)-6-tetrazol-1-ylmethyl-7H-pyrrolo[2,3-d]pyrimidine-2-carbonitrile
- IUPAC
- 7-(2,2-dimethylpropyl)-6-(tetrazol-1-ylmethyl)pyrrolo[2,3-d]pyrimidine-2-carbonitrile
Names & synonyms
SCHEMBL4956079HCQDVZWAHCAVAN-UHFFFAOYSA-N7-(2,2-Dimethyl-propyl)-6-tetrazol-1-ylmethyl-7H-pyrrolo[2,3-d]pyrimidine-2-carbonitrile
Database identifiers
- PubChem CID
- 59834682
Properties
Computed structural properties
- XLogP
- 1.6
- Topological polar surface area
- 98.1 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 4
- Heavy atoms
- 22
- Formal charge
- 0
- Complexity
- 438
Related reactions
2 records
Compound notes
Loading…